SCHEMBL29007685

SCHEMBL29007685

NC1(C(=O)O)C=CC=C(c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.31
SRR Q9GZT4 2/20 0.31
PSAT1 Q9Y617 2/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.30
KMO O15229 1/20 0.30
AKR1C1 Q04828 1/20 0.30
BCAT2 O15382 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10872336 0.89 SRR (0.33) HDAC4NPC1RAB9ALMNASRR
SCHEMBL28695093 0.83 MEN1 (0.37) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL4336208 0.81 ALDH1A1 (0.34) RAB9ALMNAALDH1A1THRBTDP1
SCHEMBL27593298 0.80 OPRM1 (0.39) NPC1RAB9AALDH1A1HPGD
SCHEMBL4619747 0.79 HDAC4 (0.33) HDAC4NPC1RAB9ALMNAALDH1A1
SCHEMBL5671293 0.78 NPC1 (0.37) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL9006818 0.78 THRB (0.35) HDAC4NPC1RAB9ALMNAALDH1A1
SCHEMBL5067245 0.77 HDAC1 (0.35) NPC1RAB9ALMNAALDH1A1
Methane SCHEMBL28000918 0.77 NPC1 (0.36) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL28926102 0.77 HDAC4 (0.32) HDAC4NPC1RAB9ALMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178957-B PPS engineering plastic and preparation method thereof 深圳市金志成塑胶科技有限公司 2024-12-31 CN claimed
CN-116178957-A PPS engineering plastic and preparation method thereof 深圳市金志成塑胶科技有限公司 2023-05-30 CN claimed
CN-116178957-B PPS engineering plastic and preparation method thereof 深圳市金志成塑胶科技有限公司 2024-12-31 CN disclosed
CN-116178957-A PPS engineering plastic and preparation method thereof 深圳市金志成塑胶科技有限公司 2023-05-30 CN disclosed